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Ligand families
24,639Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.
ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.
PROTAC
2,815PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,615Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.
By Target (DTO)
19,694Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents —to build screening and validation sets.
By Disease (DOID)
8,779Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.
Products
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamideFormula: C27H29N3O4S Molecular Weight: 491.6◐ Made to order · 8–12 wks Item #: D668621View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
- SMILES
- C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
- InChIKey
- WGQPJPGVHXXIAT-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide|4-(3,4-dihydro-1H-isoquinolin-2...
- 4-(3-Phenylpropyl)morpholineCAS: 25262-57-1 Formula: C13H19NO Molecular Weight: 205.3◐ Made to order · 8–12 wks Item #: P668512View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3-phenylpropyl)morpholine
- SMILES
- C1COCCN1CCCC2=CC=CC=C2
- InChIKey
- LEIREMDVERZAKS-UHFFFAOYSA-N
- InChI
- 1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2
- Synonyms
- 4-(3-phenylpropyl)morpholine|phenylpropyl-morpholine|Cambridge id 5423935
- 4-(3-bromophenyl)-1H-1,2,3-triazoleCAS: 35225-02-6 Formula: C8H6BrN3 Molecular Weight: 224.06◐ Made to order · 8–12 wks Item #: B668961View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3-bromophenyl)-2H-triazole
- SMILES
- C1=CC(=CC(=C1)Br)C2=NNN=C2
- InChIKey
- BKJXSQXZIOTRTP-UHFFFAOYSA-N
- InChI
- 1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
- Synonyms
- 4-(3-bromophenyl)-1H-1,2,3-triazole|4-(3-bromophenyl)-2H-triazole|5-(3-bromophenyl)-1H-1,2,3-Triazole|3-[3-(2-bromo-4...
- 4-(3-Chlorophenylamino)-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidine◐ Made to order · 8–12 wks Item #: C669012View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- SMILES
- CC1=C(NC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl)C
- InChIKey
- WXJDWBDGDSXEFA-UHFFFAOYSA-N
- InChI
- 1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
- Synonyms
- CGP-59326|TRX-13|4-(3-Chlorophenylamino)-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidine|N-(3-chlorophenyl)-5,6-dimethyl-7H-...
- 4-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzenesulfonamide◐ Made to order · 8–12 wks Item #: D668993View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
- SMILES
- C1=CC(=CC=C1N2C(=O)C(=C(C=N2)Cl)Cl)S(=O)(=O)N
- InChIKey
- BJITVBXEZBGKCJ-UHFFFAOYSA-N
- InChI
- 1S/C10H7Cl2N3O3S/c11-8-5-14-15(10(16)9(8)12)6-1-3-7(4-2-6)19(13,17)18/h1-5H,(H2,13,17,18)
- Synonyms
- 4-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzenesulfonamide|4-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)benzene-1-sulfonam...
- 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-oneFormula: C19H20FNO Molecular Weight: 297.4◐ Made to order · 8–12 wks Item #: D667880View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one
- SMILES
- C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC=C(C=C3)F
- InChIKey
- NMALCZJKSYZTRE-UHFFFAOYSA-N
- InChI
- 1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
- Synonyms
- 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one|4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophen...
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamideFormula: C27H29N3O3S Molecular Weight: 475.6◐ Made to order · 8–12 wks Item #: D668678View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
- SMILES
- C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4
- InChIKey
- IDQGIAKHENYTHX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide|4-(3,4-dihydro-1H-isoquinolin-...
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamideFormula: C28H31N3O3S Molecular Weight: 489.6◐ Made to order · 8–12 wks Item #: D668686View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
- SMILES
- C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4
- InChIKey
- ZWLIOLNWONUVEB-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide|4-(3,4-dihydro-1H-isoquinolin-2...
- 4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine◐ Made to order · 8–12 wks Item #: C668502View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
- SMILES
- COC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
- InChIKey
- KJZRUVRVAIKXOV-UHFFFAOYSA-N
- InChI
- 1S/C16H13ClN2OS/c1-20-14-8-6-13(7-9-14)18-16-19-15(10-21-16)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,19)
- Synonyms
- 4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine|[4-(4-Chloro-phenyl)-thiazol-2-yl]-(4-methoxy-phenyl)-amine|4-(...
- 4-(4-Benzyl-piperazin-1-yl)-1H-indoleFormula: C19H21N3 Molecular Weight: 291.4◐ Made to order · 8–12 wks Item #: B668703View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-benzylpiperazin-1-yl)-1H-indole
- SMILES
- C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC4=C3C=CN4
- InChIKey
- JLZIBIQTDGMAFZ-UHFFFAOYSA-N
- InChI
- 1S/C19H21N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-10,20H,11-15H2
- Synonyms
- 4-(4-Benzyl-piperazin-1-yl)-1H-indole
- 4-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diolFormula: C16H13ClN2O2 Molecular Weight: 300.74◐ Made to order · 8–12 wks Item #: C668372View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
- SMILES
- CC1=C(C(=NN1)C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)Cl
- InChIKey
- UUKHMCQBTJVIKW-UHFFFAOYSA-N
- InChI
- 1S/C16H13ClN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)
- Synonyms
- 4-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol|4-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]benzen...
- 4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenolCAS: 24777-14-8 Formula: C22H18N2O2 Molecular Weight: 342.4◐ Made to order · 8–12 wks Item #: D668203View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenol
- SMILES
- COC1=C(C=CC(=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)O
- InChIKey
- GVVMEVSFLBMIMJ-UHFFFAOYSA-N
- InChI
- 1S/C22H18N2O2/c1-26-19-14-17(12-13-18(19)25)22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,23,24)
- Synonyms
- 4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenol|2-(4'-Hydroxy-3-methoxy)phenyl-4,5-diphenylimidazole|Imidazole, 4,5...
![4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide - CAS No(D668621) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/6/D668621.jpg)
![4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide - CAS No(D668678) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/6/D668678.jpg)
![4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide - CAS No(D668686) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/D/6/D668686.jpg)
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It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
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